Sugi Predict

Sugi Predict / Compounds / SCHEMBL1460105

SCHEMBL1460105

SCHEMBL1460105

CCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3ccnc(OC)c3Cl)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ SCN9A Q15858 11/20 0.36
▸ PTGS1 P23219 2/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ ATR Q13535 1/20 0.33
▸ ATRIP Q8WXE1 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ PSEN1 P49768 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1463477 0.88 LOXL2 (0.36) LOXL2PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL1460192 0.80 LOXL2 (0.38) LOXL2SCN9APTGDR2
SCHEMBL1459964 0.79 PTGDR2 (0.36) LOXL2SCN9APTGS1PTGS2PTGDR2
SCHEMBL1460270 0.79 MMP13 (0.43) SCN9ACYP1A2CYP2C9CYP2C19PTGDR2
SCHEMBL1460041 0.79 CYP3A4 (0.37) SCN9ACYP3A4CYP2C9CYP2C19PTGDR2
SCHEMBL1460330 0.77 SCN9A (0.42) SCN9APTGS1PTGS2CYP1A2CYP3A4
SCHEMBL1460337 0.77 CLK2 (0.40) PTGS2PTGDR2
SCHEMBL1458835 0.75 SCN9A (0.38) SCN9APTGDR2
SCHEMBL1460149 0.75 TRPA1 (0.37) SCN9APTGDR2PSEN1PSEN2APH1B
SCHEMBL12826015 0.74 SCN9A (0.38) SCN9APTGS1PTGS2PTGDR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 — — EP claimed
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 — — CN claimed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — WO claimed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — US claimed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 — — EP disclosed
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 — — CN disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — WO disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E LOXL2 4039/4885SCN9A 408/4885PTGS1 656/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.